#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hlq s ALA 2 N 0.00 3.38 0.37 0.00 0.00 -1.26 -5.09 121.76 119.16 1hlq s ALA 2 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 51.96 49.75 1hlq s ALA 2 Cb 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 22.50 1hlq s ALA 2 CO 0.00 0.01 1.23 -2.30 0.00 0.00 0.00 175.76 174.71 1hlq n PRO 3 N -1.08 1.93 -2.55 0.00 -0.02 -1.26 -4.36 135.00 127.66 1hlq n PRO 3 Ca -0.03 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 1hlq n PRO 3 Cb 0.62 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1hlq n PRO 3 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hlq s LEU 4 N -1.09 4.18 0.26 2.45 1.43 -1.26 -1.21 118.68 123.45 1hlq s LEU 4 Ca 0.58 2.05 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 1hlq s LEU 4 Cb -0.56 -4.13 -0.13 0.00 0.03 0.00 0.00 46.19 41.40 1hlq s LEU 4 CO 0.60 -0.45 1.35 0.52 0.23 0.00 0.00 176.35 178.60 1hlq n VAL 5 N 0.06 1.26 -3.52 -1.59 0.31 0.30 -4.81 118.33 110.34 1hlq n VAL 5 Ca 0.04 -0.31 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 1hlq n VAL 5 Cb 0.49 -1.45 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 1hlq n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hlq s ALA 6 N -0.36 3.71 0.45 3.52 0.00 -1.26 -4.99 121.76 122.82 1hlq s ALA 6 Ca 0.65 -0.24 0.38 0.00 0.00 0.00 0.00 51.96 52.74 1hlq s ALA 6 Cb -0.64 -2.36 1.92 0.00 0.00 0.00 0.00 23.12 22.04 1hlq s ALA 6 CO 0.53 0.49 2.20 0.93 0.00 0.00 0.00 175.76 179.92 1hlq h GLU 7 N 4.62 0.00 -0.01 0.00 5.08 -1.94 -0.76 114.58 121.57 1hlq h GLU 7 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1hlq h GLU 7 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1hlq h GLU 7 CO 0.62 0.02 -0.21 0.25 -1.00 0.00 0.00 179.01 178.68 1hlq n THR 8 N -3.21 0.00 -1.83 1.13 -2.24 -1.26 -4.01 114.28 102.85 1hlq n THR 8 Ca -0.02 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 1hlq n THR 8 Cb 0.17 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1hlq n THR 8 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hlq s ASP 9 N -2.54 5.82 0.19 3.42 -0.00 -0.29 -4.81 116.67 118.46 1hlq s ASP 9 Ca 0.25 2.86 -0.12 0.00 -0.00 0.00 0.00 52.55 55.54 1hlq s ASP 9 Cb 0.19 -2.65 0.13 0.00 -0.00 0.00 0.00 42.92 40.60 1hlq s ASP 9 CO 0.52 -1.20 1.83 0.00 -0.00 0.00 0.00 175.17 176.31 1hlq h ALA 10 N 2.21 0.77 -0.13 5.23 0.00 -1.91 -0.05 119.26 125.39 1hlq h ALA 10 Ca -0.51 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1hlq h ALA 10 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1hlq h ALA 10 CO 0.61 0.12 -0.37 -2.95 0.00 0.00 0.00 179.25 176.65 1hlq h ASN 11 N 0.73 0.27 -0.11 0.00 7.08 -1.95 -1.57 115.58 120.04 1hlq h ASN 11 Ca 0.24 -0.11 -0.02 0.00 -3.08 0.00 0.00 56.30 53.33 1hlq h ASN 11 Cb 0.00 -0.08 -0.00 0.00 -2.08 0.00 0.00 38.32 36.16 1hlq h ASN 11 CO -0.09 0.63 -0.00 0.00 -2.08 0.00 0.00 177.43 175.88 1hlq h ALA 12 N 1.39 0.14 -0.79 4.14 0.00 -1.64 -2.95 119.26 119.55 1hlq h ALA 12 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1hlq h ALA 12 Cb 0.76 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1hlq h ALA 12 CO 0.06 -0.17 0.52 0.87 0.00 0.00 0.00 179.25 180.53 1hlq h LYS 13 N -0.09 1.03 -0.03 0.00 1.57 -0.81 -0.80 116.57 117.44 1hlq h LYS 13 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1hlq h LYS 13 Cb 0.36 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1hlq h LYS 13 CO 0.01 0.68 -0.07 1.03 -0.57 0.00 0.00 179.45 180.53 1hlq h SER 14 N 1.06 0.04 -0.47 0.86 0.87 -1.19 -2.46 113.55 112.25 1hlq h SER 14 Ca 0.29 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1hlq h SER 14 Cb -0.10 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1hlq h SER 14 CO -0.07 0.11 0.00 0.18 -0.53 0.00 0.00 176.83 176.52 1hlq n LEU 15 N -4.44 3.31 -2.55 2.23 4.77 -0.62 -4.97 117.00 114.72 1hlq n LEU 15 Ca -0.02 -1.86 -0.20 0.00 -0.03 0.00 0.00 56.01 53.89 1hlq n LEU 15 Cb 0.16 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1hlq n LEU 15 CO 0.35 0.80 -0.20 0.61 -1.33 0.00 0.00 177.39 177.63 1hlq n GLY 16 N 1.07 -0.50 3.76 -0.72 0.00 -0.46 -0.22 105.19 108.11 1hlq n GLY 16 Ca 0.17 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1hlq n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hlq s TYR 17 N -3.03 2.92 0.04 1.61 5.04 -0.43 -4.61 117.35 118.88 1hlq s TYR 17 Ca 0.07 1.08 0.04 0.00 -2.44 0.00 0.00 57.07 55.82 1hlq s TYR 17 Cb -0.03 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 38.39 1hlq s TYR 17 CO 0.09 -2.73 -0.13 0.14 -1.34 0.00 0.00 175.55 171.59 1hlq s VAL 18 N -0.37 1.00 -0.91 3.14 -7.23 0.07 -4.77 120.40 111.33 1hlq s VAL 18 Ca 0.57 -1.03 0.24 0.00 -1.81 0.00 0.00 61.98 59.95 1hlq s VAL 18 Cb -0.43 -0.93 0.21 0.00 0.56 0.00 0.00 36.38 35.78 1hlq s VAL 18 CO 0.49 -0.08 1.74 0.00 -0.31 0.00 0.00 175.10 176.94 1hlq n ALA 19 N 1.78 2.05 -3.64 1.32 0.00 -1.26 -1.28 120.51 119.48 1hlq n ALA 19 Ca -0.19 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 1hlq n ALA 19 Cb 0.55 -1.39 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 1hlq n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hlq s ASP 20 N -3.34 1.94 0.60 0.00 3.68 -1.26 -2.54 116.67 115.75 1hlq s ASP 20 Ca 0.10 -0.37 0.29 0.00 2.13 0.00 0.00 52.55 54.71 1hlq s ASP 20 Cb 0.14 -0.23 1.61 0.00 -1.45 0.00 0.00 42.92 42.98 1hlq s ASP 20 CO 0.44 -0.31 2.01 0.00 0.13 0.00 0.00 175.17 177.44 1hlq h THR 21 N 6.43 0.36 0.00 1.71 1.03 -0.81 0.04 112.91 121.66 1hlq h THR 21 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1hlq h THR 21 Cb 1.14 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1hlq h THR 21 CO 0.24 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 176.10 1hlq n THR 22 N -3.63 0.00 -0.10 0.00 -2.24 -1.26 -2.28 114.28 104.76 1hlq n THR 22 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1hlq n THR 22 Cb 0.46 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1hlq n THR 22 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hlq n LYS 23 N -0.70 2.55 -1.44 -0.78 5.02 -0.00 -5.06 118.16 117.75 1hlq n LYS 23 Ca 0.08 -1.36 -0.35 0.00 -2.02 0.00 0.00 58.31 54.66 1hlq n LYS 23 Cb 0.04 -0.95 0.10 0.00 -0.02 0.00 0.00 35.03 34.19 1hlq n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hlq s ALA 24 N -0.86 2.11 -0.96 7.82 0.00 -0.97 -4.89 121.76 124.02 1hlq s ALA 24 Ca 0.00 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1hlq s ALA 24 Cb 0.00 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 19.68 1hlq s ALA 24 CO 0.00 -1.91 1.37 0.34 0.00 0.00 0.00 175.76 175.56 1hlq s ASP 25 N -1.88 6.46 0.48 0.00 3.68 -1.26 -4.81 116.67 119.33 1hlq s ASP 25 Ca 0.76 -1.37 0.32 0.00 2.13 0.00 0.00 52.55 54.39 1hlq s ASP 25 Cb -0.31 -2.54 1.36 0.00 -1.45 0.00 0.00 42.92 39.97 1hlq s ASP 25 CO 0.45 -1.50 1.94 0.11 0.13 0.00 0.00 175.17 176.30 1hlq h LYS 26 N 9.71 0.00 -0.04 4.34 1.57 -1.90 -0.35 116.57 129.89 1hlq h LYS 26 Ca 0.11 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1hlq h LYS 26 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1hlq h LYS 26 CO 1.36 0.00 -0.62 1.15 -0.57 0.00 0.00 179.45 180.78 1hlq h THR 27 N 0.00 1.38 -0.03 -0.16 2.02 -1.98 -3.01 112.91 111.14 1hlq h THR 27 Ca 0.00 -1.99 -0.18 0.00 0.77 0.00 0.00 66.41 65.01 1hlq h THR 27 Cb 0.41 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1hlq h THR 27 CO 0.00 0.59 -0.77 0.50 0.37 0.00 0.00 175.52 176.22 1hlq h LYS 28 N 0.05 0.21 -2.65 6.66 3.64 -1.87 -3.36 116.57 119.25 1hlq h LYS 28 Ca -0.06 -0.19 -0.61 0.00 -1.27 0.00 0.00 60.65 58.52 1hlq h LYS 28 Cb 1.29 0.05 -0.41 0.00 -0.41 0.00 0.00 32.23 32.75 1hlq h LYS 28 CO 0.12 0.88 -0.66 0.66 -2.27 0.00 0.00 179.45 178.18 1hlq n TYR 29 N -3.74 2.66 0.29 1.91 4.01 -0.18 -4.95 117.16 117.15 1hlq n TYR 29 Ca -0.03 -4.10 0.09 0.00 -0.16 0.00 0.00 57.90 53.70 1hlq n TYR 29 Cb 0.73 -0.49 0.41 0.00 -0.31 0.00 0.00 39.34 39.68 1hlq n TYR 29 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1hlq n PRO 30 N 1.67 0.11 0.00 -0.72 -0.04 -1.14 0.17 135.00 135.06 1hlq n PRO 30 Ca 0.24 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1hlq n PRO 30 Cb 0.40 -1.77 0.42 0.00 -0.04 0.00 0.00 33.50 32.51 1hlq n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1hlq n LYS 31 N -1.99 1.32 -1.94 0.54 5.02 -1.26 -4.91 118.16 114.94 1hlq n LYS 31 Ca 0.01 -0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 55.12 1hlq n LYS 31 Cb 0.13 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1hlq n LYS 31 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1hlq s HIS 32 N -2.23 2.42 0.10 2.13 5.65 0.13 -5.05 115.29 118.43 1hlq s HIS 32 Ca 0.31 1.46 -0.01 0.00 0.25 0.00 0.00 55.06 57.07 1hlq s HIS 32 Cb 0.20 -3.62 -0.04 0.00 -1.18 0.00 0.00 32.58 27.94 1hlq s HIS 32 CO 0.42 -2.43 0.01 0.95 -0.65 0.00 0.00 174.74 173.04 1hlq s THR 33 N -1.44 0.24 -1.80 0.89 -4.23 -1.26 -5.03 115.64 103.01 1hlq s THR 33 Ca 0.73 -1.88 0.23 0.00 -1.18 0.00 0.00 61.69 59.59 1hlq s THR 33 Cb -0.35 -1.82 0.57 0.00 1.34 0.00 0.00 72.50 72.24 1hlq s THR 33 CO 0.40 -0.70 1.75 2.29 -0.54 0.00 0.00 174.62 177.82 1hlq n LYS 34 N -0.02 0.59 0.20 3.99 2.85 -1.26 -1.13 118.16 123.37 1hlq n LYS 34 Ca -0.09 0.03 0.14 0.00 -1.05 0.00 0.00 58.31 57.33 1hlq n LYS 34 Cb 0.62 -1.50 0.42 0.00 -0.65 0.00 0.00 35.03 33.93 1hlq n LYS 34 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1hlq h ASP 35 N 0.00 0.00 -3.52 -5.58 3.45 -1.98 -3.42 116.42 105.37 1hlq h ASP 35 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 1hlq h ASP 35 Cb 0.07 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 38.73 1hlq h ASP 35 CO 0.00 0.00 0.03 -1.10 -1.57 0.00 0.00 179.24 176.60 1hlq s GLN 36 N -3.34 4.12 0.25 3.56 -0.21 -0.29 -4.83 119.66 118.92 1hlq s GLN 36 Ca 0.05 0.41 -0.12 0.00 0.02 0.00 0.00 55.36 55.73 1hlq s GLN 36 Cb 0.08 -3.62 -0.00 0.00 1.00 0.00 0.00 33.01 30.46 1hlq s GLN 36 CO 0.57 -0.31 0.48 -1.54 -2.12 0.00 0.00 175.29 172.38 1hlq s SER 37 N 1.41 -0.03 0.35 5.90 1.04 -1.26 -4.82 113.70 116.28 1hlq s SER 37 Ca 0.23 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.73 1hlq s SER 37 Cb -0.16 0.59 0.67 0.00 0.10 0.00 0.00 66.02 67.22 1hlq s SER 37 CO 0.09 -1.16 1.96 0.00 0.98 0.00 0.00 173.24 175.12 1hlq h SER 39 N 0.84 0.00 -0.47 0.00 4.64 -1.25 -1.54 113.55 115.77 1hlq h SER 39 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1hlq h SER 39 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1hlq h SER 39 CO -0.10 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.25 1hlq n THR 40 N -3.90 1.37 -3.50 2.95 -2.24 -0.04 -5.00 114.28 103.92 1hlq n THR 40 Ca -0.03 -1.17 -0.38 0.00 -2.27 0.00 0.00 64.05 60.20 1hlq n THR 40 Cb 0.12 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1hlq n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hlq h ALA 42 N 4.65 1.05 0.00 0.00 0.00 -1.00 -2.85 119.26 121.11 1hlq h ALA 42 Ca -0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1hlq h ALA 42 Cb 1.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1hlq h ALA 42 CO 0.62 0.03 -0.88 -0.07 0.00 0.00 0.00 179.25 178.95 1hlq h LEU 43 N 0.00 0.00 -9.79 0.00 3.38 -1.91 -3.47 115.31 103.51 1hlq h LEU 43 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1hlq h LEU 43 Cb 0.31 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.14 1hlq h LEU 43 CO 0.00 0.07 0.83 -0.47 0.09 0.00 0.00 178.44 178.96 1hlq s TYR 44 N -3.29 2.84 -1.60 1.13 6.04 -1.08 -4.37 117.35 117.02 1hlq s TYR 44 Ca 0.01 0.90 0.13 0.00 0.04 0.00 0.00 57.07 58.15 1hlq s TYR 44 Cb 0.09 -3.97 0.13 0.00 -1.04 0.00 0.00 41.96 37.16 1hlq s TYR 44 CO 0.77 -3.21 0.95 1.04 -1.54 0.00 0.00 175.55 173.57 1hlq n GLN 45 N 2.10 1.02 0.00 4.97 6.02 0.35 -4.61 117.38 127.24 1hlq n GLN 45 Ca 0.07 -1.37 0.15 0.00 -0.01 0.00 0.00 57.00 55.85 1hlq n GLN 45 Cb 0.39 -1.26 0.83 0.00 1.02 0.00 0.00 30.24 31.21 1hlq n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hlq n GLY 46 N 0.74 -0.79 7.00 1.08 0.00 -1.26 -4.74 105.19 107.22 1hlq n GLY 46 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1hlq n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hlq n LYS 47 N -0.76 0.00 0.00 1.61 5.02 -1.26 -1.33 118.16 121.44 1hlq n LYS 47 Ca 0.22 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1hlq n LYS 47 Cb 0.18 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 35.71 1hlq n LYS 47 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hlq n THR 48 N 0.00 0.00 -1.80 -0.18 -2.24 -1.26 -4.94 114.28 103.86 1hlq n THR 48 Ca 0.00 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 1hlq n THR 48 Cb 0.00 0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.60 1hlq n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hlq s ALA 49 N -2.22 2.46 -1.13 6.98 0.00 -0.44 -4.94 121.76 122.47 1hlq s ALA 49 Ca 0.33 0.66 0.21 0.00 0.00 0.00 0.00 51.96 53.16 1hlq s ALA 49 Cb 0.20 -3.35 0.95 0.00 0.00 0.00 0.00 23.12 20.93 1hlq s ALA 49 CO 0.41 -1.28 1.68 -0.35 0.00 0.00 0.00 175.76 176.22 1hlq n PRO 50 N -2.25 0.10 -3.59 0.00 -0.04 -1.26 -4.67 135.00 123.29 1hlq n PRO 50 Ca 0.11 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1hlq n PRO 50 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1hlq n PRO 50 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1hlq s GLN 51 N -2.87 0.99 -0.08 0.54 0.00 -1.26 -0.91 119.66 116.07 1hlq s GLN 51 Ca 0.13 -0.10 -0.31 0.00 -0.00 0.00 0.00 55.36 55.09 1hlq s GLN 51 Cb 0.14 0.46 0.10 0.00 0.00 0.00 0.00 33.01 33.70 1hlq s GLN 51 CO 0.37 -0.34 1.36 0.20 0.00 0.00 0.00 175.29 176.88 1hlq s GLY 52 N -1.67 -0.21 0.53 2.60 0.00 -0.67 -4.79 107.32 103.11 1hlq s GLY 52 Ca -0.08 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.62 1hlq s GLY 52 CO 0.02 6.79 1.00 0.00 0.00 0.00 0.00 173.10 180.91 1hlq s ALA 53 N -2.00 3.02 -0.02 3.20 0.00 -1.26 -0.16 121.76 124.54 1hlq s ALA 53 Ca 0.32 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1hlq s ALA 53 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1hlq s ALA 53 CO -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 175.76 175.37 1hlq h PRO 55 N 6.57 0.00 0.00 0.00 0.13 -1.99 -1.31 132.00 135.40 1hlq h PRO 55 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1hlq h PRO 55 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1hlq h PRO 55 CO 0.49 0.01 -0.15 1.28 -0.23 0.00 0.00 178.00 179.40 1hlq n LEU 56 N -3.25 0.33 -3.73 1.56 4.77 -1.26 -4.52 117.00 110.90 1hlq n LEU 56 Ca -0.03 0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 56.07 1hlq n LEU 56 Cb 0.11 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1hlq n LEU 56 CO 0.23 -0.02 -0.16 -0.36 -1.33 0.00 0.00 177.39 175.74 1hlq s PHE 57 N -3.04 2.58 0.34 -1.77 0.40 -0.50 -5.00 117.98 111.00 1hlq s PHE 57 Ca 0.12 -2.88 -0.29 0.00 -0.60 0.00 0.00 56.93 53.28 1hlq s PHE 57 Cb 0.17 -2.08 -0.11 0.00 0.51 0.00 0.00 43.02 41.51 1hlq s PHE 57 CO 0.59 -0.68 1.38 0.00 0.70 0.00 0.00 175.22 177.21 1hlq s ALA 58 N -0.62 3.53 0.00 5.36 0.00 -1.26 -3.24 121.76 125.54 1hlq s ALA 58 Ca 0.25 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1hlq s ALA 58 Cb -0.08 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1hlq s ALA 58 CO -0.13 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1hlq n GLY 59 N 0.74 0.76 2.75 0.00 0.00 -1.26 -4.95 105.19 103.23 1hlq n GLY 59 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1hlq n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hlq n LYS 60 N -2.05 0.52 -4.18 1.61 5.02 -1.20 -4.36 118.16 113.52 1hlq n LYS 60 Ca 0.00 -2.84 -0.17 0.00 -2.02 0.00 0.00 58.31 53.28 1hlq n LYS 60 Cb 0.01 1.83 -0.11 0.00 -0.02 0.00 0.00 35.03 36.74 1hlq n LYS 60 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hlq s GLU 61 N -3.23 0.85 0.26 1.97 2.02 -0.35 -4.63 118.70 115.59 1hlq s GLU 61 Ca 0.23 -1.06 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1hlq s GLU 61 Cb 0.01 -0.73 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1hlq s GLU 61 CO 0.16 0.15 0.20 0.14 0.02 0.00 0.00 175.26 175.92 1hlq s VAL 62 N -1.78 4.34 0.01 2.63 -7.23 0.78 -0.54 120.40 118.61 1hlq s VAL 62 Ca 0.02 -1.42 -0.22 0.00 -1.81 0.00 0.00 61.98 58.54 1hlq s VAL 62 Cb -0.07 -3.36 -0.05 0.00 0.56 0.00 0.00 36.38 33.45 1hlq s VAL 62 CO 0.02 -0.34 0.66 -0.69 -0.31 0.00 0.00 175.10 174.44 1hlq s VAL 63 N -2.16 4.86 0.52 1.32 1.01 -1.26 -1.67 120.40 123.02 1hlq s VAL 63 Ca 0.33 1.38 0.18 0.00 0.00 0.00 0.00 61.98 63.87 1hlq s VAL 63 Cb -0.08 -4.00 0.27 0.00 0.00 0.00 0.00 36.38 32.58 1hlq s VAL 63 CO 0.25 0.39 2.15 0.00 0.00 0.00 0.00 175.10 177.89 1hlq h ALA 64 N 5.72 1.88 -0.12 5.51 0.00 -1.29 0.19 119.26 131.16 1hlq h ALA 64 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1hlq h ALA 64 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hlq h ALA 64 CO 0.70 0.03 0.00 1.17 0.00 0.00 0.00 179.25 181.15 1hlq n LYS 65 N -4.40 1.55 -0.45 0.00 4.81 -1.26 -0.79 118.16 117.62 1hlq n LYS 65 Ca -0.03 -0.83 -0.08 0.00 -0.87 0.00 0.00 58.31 56.51 1hlq n LYS 65 Cb 0.11 -1.37 0.06 0.00 0.02 0.00 0.00 35.03 33.84 1hlq n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hlq n GLY 66 N 1.05 -1.57 3.55 3.14 0.00 0.68 -0.25 105.19 111.79 1hlq n GLY 66 Ca 0.16 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 1hlq n GLY 66 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1hlq s TRP 67 N -1.72 -0.45 0.21 1.61 -0.00 -0.40 -0.64 118.94 117.55 1hlq s TRP 67 Ca 0.20 0.73 -0.08 0.00 -0.00 0.00 0.00 56.10 56.95 1hlq s TRP 67 Cb -0.01 0.45 -0.02 0.00 -0.00 0.00 0.00 33.47 33.89 1hlq s TRP 67 CO 0.14 -0.44 0.31 0.00 -0.00 0.00 0.00 176.95 176.96 1hlq h SER 69 N 2.46 0.00 -0.03 0.00 4.64 -0.85 -1.28 113.55 118.49 1hlq h SER 69 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1hlq h SER 69 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1hlq h SER 69 CO 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 1hlq n ALA 70 N -2.00 2.61 -1.67 5.18 0.00 -1.26 -4.94 120.51 118.43 1hlq n ALA 70 Ca -0.01 -0.23 -0.63 0.00 0.00 0.00 0.00 53.44 52.57 1hlq n ALA 70 Cb 0.17 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 1hlq n ALA 70 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1hlq n TRP 71 N -0.57 1.49 -3.99 0.00 -0.00 -0.48 -4.89 117.44 109.01 1hlq n TRP 71 Ca 0.17 0.99 -0.34 0.00 -0.00 0.00 0.00 57.50 58.32 1hlq n TRP 71 Cb 0.14 -2.24 -0.15 0.00 -0.00 0.00 0.00 31.31 29.07 1hlq n TRP 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1hlq s ALA 72 N 2.10 2.65 0.25 5.87 0.00 -1.26 -5.02 121.76 126.35 1hlq s ALA 72 Ca 0.99 -1.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1hlq s ALA 72 Cb -1.33 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 20.04 1hlq s ALA 72 CO 0.70 -0.87 1.44 0.21 0.00 0.00 0.00 175.76 177.24 1hlq s LYS 73 N 1.28 4.27 0.38 0.00 2.36 -1.26 -0.37 119.74 126.39 1hlq s LYS 73 Ca -0.01 2.30 -0.27 0.00 -2.55 0.00 0.00 55.97 55.44 1hlq s LYS 73 Cb -0.17 -3.11 -0.09 0.00 -1.05 0.00 0.00 37.83 33.41 1hlq s LYS 73 CO -0.05 -0.42 1.27 0.15 1.55 0.00 0.00 175.35 177.85 1hlq s LYS 74 N -0.36 4.11 0.00 4.03 1.02 -1.26 -4.74 119.74 122.53 1hlq s LYS 74 Ca 0.59 2.09 0.09 0.00 0.02 0.00 0.00 55.97 58.77 1hlq s LYS 74 Cb -0.42 -2.84 0.55 0.00 -0.52 0.00 0.00 37.83 34.61 1hlq s LYS 74 CO 0.43 -0.35 1.00 0.00 -0.92 0.00 0.00 175.35 175.51